eF-site ID 1qhi-A
PDB Code 1qhi
Chain A

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Title HERPES SIMPLEX VIRUS TYPE-I THYMIDINE KINASE COMPLEXED WITH A NOVEL NON-SUBSTRATE INHIBITOR, 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE
Classification TRANSFERASE
Compound PROTEIN (THYMIDINE KINASE)
Source Human herpesvirus 1 (strain 17) (HHV-1) (Human herpes simplex virus 1) (KITH_HSV11)
Sequence A:  MPTLLRVYIDGPHGMGKTTTTQLLVDIVYVPEPMTYWRVL
GASETIANIYTTQHRLDQGEISAGDAAVVMTSAQITMGMP
YAVTDAVLAPHIGGEAGPPALTLIFDRHPIAALLCYPAAR
YLMGSMTPQAVLAFVALIPPTLPGTNIVLGALPEDRHIDR
LAKRQRPGERLDLAMLAAIRRVYGLLANTVRYLQCGGSWR
EDWGQLSGPRPHIGDTLFTLFRAPELLAPNGDLYNVFAWA
LDVLAKRLRSMHVFILDYDQSPAGCRDALLQLTSGMVQTH
VTTPGSIPTICDLARTFAREMGEA
Description


Functional site

1) chain A
residue 58
type
sequence H
description BINDING SITE FOR RESIDUE SO4 A 3
source : AC1

2) chain A
residue 59
type
sequence G
description BINDING SITE FOR RESIDUE SO4 A 3
source : AC1

3) chain A
residue 60
type
sequence M
description BINDING SITE FOR RESIDUE SO4 A 3
source : AC1

4) chain A
residue 61
type
sequence G
description BINDING SITE FOR RESIDUE SO4 A 3
source : AC1

5) chain A
residue 62
type
sequence K
description BINDING SITE FOR RESIDUE SO4 A 3
source : AC1

6) chain A
residue 63
type
sequence T
description BINDING SITE FOR RESIDUE SO4 A 3
source : AC1

7) chain A
residue 222
type
sequence R
description BINDING SITE FOR RESIDUE SO4 A 3
source : AC1

8) chain A
residue 58
type
sequence H
description BINDING SITE FOR RESIDUE BPG A 1
source : AC3

9) chain A
residue 83
type
sequence E
description BINDING SITE FOR RESIDUE BPG A 1
source : AC3

10) chain A
residue 100
type
sequence I
description BINDING SITE FOR RESIDUE BPG A 1
source : AC3

11) chain A
residue 101
type
sequence Y
description BINDING SITE FOR RESIDUE BPG A 1
source : AC3

12) chain A
residue 125
type
sequence Q
description BINDING SITE FOR RESIDUE BPG A 1
source : AC3

13) chain A
residue 128
type
sequence M
description BINDING SITE FOR RESIDUE BPG A 1
source : AC3

14) chain A
residue 132
type
sequence Y
description BINDING SITE FOR RESIDUE BPG A 1
source : AC3

15) chain A
residue 163
type
sequence R
description BINDING SITE FOR RESIDUE BPG A 1
source : AC3

16) chain A
residue 168
type
sequence A
description BINDING SITE FOR RESIDUE BPG A 1
source : AC3

17) chain A
residue 172
type
sequence Y
description BINDING SITE FOR RESIDUE BPG A 1
source : AC3

18) chain A
residue 176
type
sequence R
description BINDING SITE FOR RESIDUE BPG A 1
source : AC3

19) chain A
residue 222
type
sequence R
description BINDING SITE FOR RESIDUE BPG A 1
source : AC3

20) chain A
residue 62
type catalytic
sequence K
description 588
source MCSA : MCSA1

21) chain A
residue 83
type catalytic
sequence E
description 588
source MCSA : MCSA1

22) chain A
residue 162
type catalytic
sequence D
description 588
source MCSA : MCSA1

23) chain A
residue 163
type catalytic
sequence R
description 588
source MCSA : MCSA1

24) chain A
residue 220
type catalytic
sequence R
description 588
source MCSA : MCSA1

25) chain A
residue 222
type catalytic
sequence R
description 588
source MCSA : MCSA1

26) chain A
residue 225
type catalytic
sequence E
description 588
source MCSA : MCSA1

27) chain A
residue 83
type ACT_SITE
sequence E
description Proton acceptor => ECO:0000255|HAMAP-Rule:MF_04029
source Swiss-Prot : SWS_FT_FI1

28) chain A
residue 56
type BINDING
sequence G
description BINDING => ECO:0000255|HAMAP-Rule:MF_04029
source Swiss-Prot : SWS_FT_FI2

29) chain A
residue 101
type BINDING
sequence Y
description BINDING => ECO:0000255|HAMAP-Rule:MF_04029
source Swiss-Prot : SWS_FT_FI2

30) chain A
residue 125
type BINDING
sequence Q
description BINDING => ECO:0000255|HAMAP-Rule:MF_04029
source Swiss-Prot : SWS_FT_FI2

31) chain A
residue 216
type BINDING
sequence R
description BINDING => ECO:0000255|HAMAP-Rule:MF_04029
source Swiss-Prot : SWS_FT_FI2

32) chain A
residue 222
type BINDING
sequence R
description BINDING => ECO:0000255|HAMAP-Rule:MF_04029
source Swiss-Prot : SWS_FT_FI2


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